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5,10-Epoxy-5H-dibenzo[a,d]cycloheptene, 10,11-dihydro-5,10-diphenyl-
SpectraBase Compound ID 97W8ZIFPAlx
InChI InChI=1S/C27H20O/c1-3-12-21(13-4-1)26-19-20-11-7-8-16-23(20)27(28-26,22-14-5-2-6-15-22)25-18-10-9-17-24(25)26/h1-18H,19H2/t26-,27-/m1/s1
InChIKey MLRIABKOIXRZJP-KAYWLYCHSA-N
Mol Weight 360.46 g/mol
Molecular Formula C27H20O
Exact Mass 360.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gk26xoxayVy
Name 5,10-Epoxy-5H-dibenzo[A,D]cycloheptene, 10,11-dihydro-5,10-diphenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.151415263 u
Formula C27H20O
InChI InChI=1S/C27H20O/c1-3-12-21(13-4-1)26-19-20-11-7-8-16-23(20)27(28-26,22-14-5-2-6-15-22)25-18-10-9-17-24(25)26/h1-18H,19H2/t26-,27-/m1/s1
InChIKey MLRIABKOIXRZJP-KAYWLYCHSA-N
Molecular Weight 360.456 g/mol
SMILES [C@@]12(O[C@](C3=CC=CC=C3)(C=3C1=CC=CC3)CC=1C2=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953381